Khazaei M, Ranjbar A, Kang YG, Liang Y, Khaledialidusti R, Bae S, Raebiger H, Wang V, Han MJ, Mizoguchi H, Bahramy MS, Kühne TD, Belosludov RV, Ohno K, Hosono H (2022)
Publication Type: Journal article
Publication year: 2022
Book Volume: 32
Article Number: 2110930
Journal Issue: 20
The family of III–V element compounds (i.e., XY compounds; X = B, Al, Ga, In, or Tl; Y = N, P, As, or Sb) have been intensively investigated for several decades because of their enormous applications for many optoelectronic devices. Here, by employing first-principles calculations, the electronic structures of bulk XY haeckelite compounds are examined. It is identified that InSb (TlN and TlP) is Dirac semimetal (are strong topological insulators). The other fifteen XY compounds are semiconducting. The effect of biaxial and uniaxial tensile and compressive strains on the electronic structures are studied. These materials offer diverse topological orders. The semiconducting band gaps are mainly found between the bonding and antibonding states of the mixed X(p)–Y(p) orbitals at the top of the valence band and the bottom of the conduction bands, respectively. The topological insulating nature of the XY compounds is explained based on the degenerate p
APA:
Khazaei, M., Ranjbar, A., Kang, Y.-G., Liang, Y., Khaledialidusti, R., Bae, S.,... Hosono, H. (2022). Electronic Structures of Group III–V Element Haeckelite Compounds: A Novel Family of Semiconductors, Dirac Semimetals, and Topological Insulators. Advanced Functional Materials, 32(20). https://doi.org/10.1002/adfm.202110930
MLA:
Khazaei, Mohammad, et al. "Electronic Structures of Group III–V Element Haeckelite Compounds: A Novel Family of Semiconductors, Dirac Semimetals, and Topological Insulators." Advanced Functional Materials 32.20 (2022).
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